General Information of the Compound
| Compound ID |
CP0392643
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| Compound Name |
(3R,8R,9S,10S,13S,14S)-3-(2-cyclohexylethyl)-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
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| Structure |
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| Formula |
C27H44O2
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| Molecular Weight |
400.647
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCC4C[C@@](O)(CCC5CCCCC5)CC[C@]34C)[C@@H]1CCC2=O
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| InChI |
InChI=1S/C27H44O2/c1-25-16-17-27(29,15-12-19-6-4-3-5-7-19)18-20(25)8-9-21-22-10-11-24(28)26(22,2)14-13-23(21)25/h19-23,29H,3-18H2,1-2H3/t20?,21-,22-,23-,25-,26-,27+/m0/s1
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| InChIKey |
CEDQNRBMGRLFFJ-GDILPITCSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound